Chemical Properties of Phenol, 2,3,5,6-tetrachloro-4-methoxy- (CAS 484-67-3)

InChI

InChI=1S/C7H4Cl4O2/c1-13-7-4(10)2(8)6(12)3(9)5(7)11/h12H,1H3

InChI Key

XIWJLPHQDBDOAN-UHFFFAOYSA-N

Formula

C7H4Cl4O2

SMILES

COc1c(Cl)c(Cl)c(O)c(Cl)c1Cl

Molecular Weight¹

261.92

CAS

484-67-3

Other Names

• 2,3,5,6-Tetrachloro-4-methoxyphenol
• 4-Methoxy-2,3,5,6-tetrachlorophenol
• Drosophilin A
• Tetrachloro-p-methoxyphenol
• p-Methoxytetrachlorophenol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[192.84; 323.78]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			8.79600e+01
Coefficient B			4.70520e-01
Coefficient C			-3.47000e-04
Coefficient D			1.12300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.84	J/mol×K	273.00	Calculated Property
Cp,gas	215.96	J/mol×K	353.78	Calculated Property
Cp,gas	236.12	J/mol×K	434.56	Calculated Property
Cp,gas	253.65	J/mol×K	515.33	Calculated Property
Cp,gas	268.92	J/mol×K	596.11	Calculated Property
Cp,gas	282.29	J/mol×K	676.89	Calculated Property
Cp,gas	294.10	J/mol×K	757.67	Calculated Property
Cp,gas	304.72	J/mol×K	838.44	Calculated Property
Cp,gas	314.49	J/mol×K	919.22	Calculated Property
Cp,gas	323.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019214; 0.0000320]	Pa×s	[389.15; 634.71]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.68370e+01
Coefficient B			4.11809e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			389.15
Temperature range, max.			634.71
η	0.0019214	Pa×s	389.15	Calculated Property
η	0.0009605	Pa×s	416.43	Calculated Property
η	0.0005229	Pa×s	443.72	Calculated Property
η	0.0003055	Pa×s	471.00	Calculated Property
η	0.0001892	Pa×s	498.29	Calculated Property
η	0.0001232	Pa×s	525.57	Calculated Property
η	0.0000837	Pa×s	552.85	Calculated Property
η	0.0000590	Pa×s	580.14	Calculated Property
η	0.0000429	Pa×s	607.42	Calculated Property
η	0.0000320	Pa×s	634.71	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2,3,5,6-tetrachloro-4-methoxy-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.